4-chloro-1-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-5-carboxamide

C18H14ClN5O — CID 3147227

IUPAC4-chloro-1-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C18H14ClN5O/c1-24-16(13(19)10-20-24)18(25)21-12-7-8-14-15(9-12)23-17(22-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,25)(H,22,23)
InChIKeyJRYUEVSLSDUBAD-UHFFFAOYSA-N
MW351.80 g/mol
LogP3.87
Rot. Bonds3

About 4-chloro-1-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-5-carboxamide

4-chloro-1-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-5-carboxamide (PubChem CID 3147227) has the molecular formula C18H14ClN5O and a molecular weight of 351.80 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-5-carboxamide
PubChem CID3147227
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC Name4-chloro-1-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C18H14ClN5O/c1-24-16(13(19)10-20-24)18(25)21-12-7-8-14-15(9-12)23-17(22-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,25)(H,22,23)
InChIKeyJRYUEVSLSDUBAD-UHFFFAOYSA-N
XLogP3.87
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-5-carboxamide (CID 3147227) is 4-chloro-1-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 4-chloro-1-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-5-carboxamide?
The InChIKey is JRYUEVSLSDUBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O/c1-24-16(13(19)10-20-24)18(25)21-12-7-8-14-15(9-12)23-17(22-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,25)(H,22,23).
What are the key properties of 4-chloro-1-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-5-carboxamide?
4-chloro-1-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-5-carboxamide has a molecular weight of 351.80 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 3147227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).